Molecule

ID:20501

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₇NO
Molecular Mass
263.33368
Exact Mass
263.13101417
Charge
0
InChI
InChI=1S/C18H17NO/c1-13-11-16(9-10-18(13)19)20-12-15-7-4-6-14-5-2-3-8-17(14)15/h2-11H,12,19H2,1H3
InChIKey
HRYZQEIOXZHMFA-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(ccc1N)OCc1cccc2c1cccc2
Isomeric Smiles
c1(c(ccc(c1)OCc1c2c(ccc1)cccc2)N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.1143556
LogD (pH = 7.4)
4.21261
Log P
4.21402
Molar Refractivity
83.3256
Polarizability
32.969254
Polar Surface Area
35.25
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation